title: Simultaneous quantification of verbenalin and verbascoside in Verbena officinalis by ATR-IR and NIR spectroscopy.
abstract: Attenuated-total-reflectance infrared spectroscopy (ATR-IR) and near-infrared diffuse reflectance spectroscopy (NIR) in hyphenation with multivariate analysis was utilized to quantify verbenalin and verbascoside in Verbena officinalis. A new high performance liquid chromatography (HPLC) method as a reference was established and validated. For both vibrational spectroscopic methods test-set and cross validation were performed. Different data-pre-treatments like SNV, 1st and 2nd derivative were applied to remove systematic errors and were evaluated. Quality parameters obtained for the test-set validation revealed that ATR-IR (verbenalin: R(2)=0.94, RPD=4.23; verbascoside: R(2)=0.93, RPD=3.63) has advantages over NIR (verbenalin: R(2)=0.91, RPD=3.75; verbascoside: R(2)=0.80, RPD=2.35) in the given application.
authors.affiliation: Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University, CCB Center for Chemistry and Biomedicine, Innrain 80-82, 6020 Innsbruck, Austria.
authors.forename: S A
authors.initials: SA
authors.lastname: Schönbichler
authors.forename: L K H
authors.initials: LK
authors.lastname: Bittner
authors.forename: J D
authors.initials: JD
authors.lastname: Pallua
authors.forename: M
authors.initials: M
authors.lastname: Popp
authors.forename: G
authors.initials: G
authors.lastname: Abel
authors.forename: G K
authors.initials: GK
authors.lastname: Bonn
authors.forename: C W
authors.initials: CW
authors.lastname: Huck
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods; D005960:Glucosides / Q000032:analysis* / Q000737:chemistry; D057889:Iridoid Glycosides / Q000032:analysis* / Q000737:chemistry; D015999:Multivariate Analysis; D010636:Phenols / Q000032:analysis* / Q000737:chemistry; D013055:Spectrophotometry, Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D032412:Verbena / Q000737:chemistry*; D059808:Polyphenols
chemical_list: D005960:Glucosides; D057889:Iridoid Glycosides; D010636:Phenols; C058956:acteoside; D059808:Polyphenols; C000511:cornin iridoid
keywords: ATR-IR; HPLC-DAD; NIR; PLS; Verbena officinalis